1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-6-amine | 90109-09-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-6-amine
• 英文别名: 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
• CAS: 90109-09-4
• 化学式: C₁₃H₁₉NO₂
• 分子量: 221.299
• InChiKey: CQIONNVDPHXIIF-UHFFFAOYSA-N

物化性质

• 沸点：
  355.0±42.0 °C(Predicted)
• 密度：
  1.055±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  丙酸 、 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-6-amine 在 sodium tetrahydroborate 作用下， 生成
  参考文献：
  名称：

  Catechol derivatives of 6-aminobenzocycloheptene: assessment of dopaminergic effects

  摘要：

  The title compounds were prepared as congeners of the dopaminergically potent 2-amino-5,6-dihydroxytetralin series ("A-5,6-DTN"). None of the variously nitrogen-substituted benzocycloheptenes demonstrated any dopamine-like effects in a variety of assays. The primary amine had alpha 1-adrenoceptor stimulant effects. This lack of dopaminergic effect parallels the inactivity found in 6-aminobenzocycloheptenes bearing no oxygen substitutents, those bearing a single phenolic group, and those bearing a resorcinol 1,3-diphenolic substitution pattern.

  DOI：

  10.1021/jm00373a019
• 作为产物：
  描述：

  1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one 在 palladium on activated charcoal 高氯酸 、 亚硝酸丁酯 、 potassium tert-butylate 、 氢气 作用下， 以 乙醚 、 溶剂黄146 为溶剂， 25.0 ℃ 、310.27 kPa 条件下， 反应 4.5h， 生成 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-6-amine
  参考文献：
  名称：

  Catechol derivatives of 6-aminobenzocycloheptene: assessment of dopaminergic effects

  摘要：

  The title compounds were prepared as congeners of the dopaminergically potent 2-amino-5,6-dihydroxytetralin series ("A-5,6-DTN"). None of the variously nitrogen-substituted benzocycloheptenes demonstrated any dopamine-like effects in a variety of assays. The primary amine had alpha 1-adrenoceptor stimulant effects. This lack of dopaminergic effect parallels the inactivity found in 6-aminobenzocycloheptenes bearing no oxygen substitutents, those bearing a single phenolic group, and those bearing a resorcinol 1,3-diphenolic substitution pattern.

  DOI：

  10.1021/jm00373a019